2,2-dimethyl-4-phenylsulfanylbutanamide

C12H17NOS — CID 142130509

IUPAC2,2-dimethyl-4-phenylsulfanylbutanamide
SMILESCC(C)(CCSc1ccccc1)C(N)=O
InChIInChI=1S/C12H17NOS/c1-12(2,11(13)14)8-9-15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,14)
InChIKeyHKRHTWVNXXNUPL-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.68
Rot. Bonds5

About 2,2-dimethyl-4-phenylsulfanylbutanamide

2,2-dimethyl-4-phenylsulfanylbutanamide (PubChem CID 142130509) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenylsulfanylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-4-phenylsulfanylbutanamide
PubChem CID142130509
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2,2-dimethyl-4-phenylsulfanylbutanamide
SMILESCC(C)(CCSc1ccccc1)C(N)=O
InChIInChI=1S/C12H17NOS/c1-12(2,11(13)14)8-9-15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,14)
InChIKeyHKRHTWVNXXNUPL-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenylsulfanylbutan-2-amine
CID 10584022
N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide
CID 10633640
4-[4-(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)sulfanylphenyl]sulfanyl-2,2-dimethylbutanoic acid
CID 18752815
3-methyl-1-phenylsulfanylhexan-3-amine
CID 79223944
2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide
CID 116694611
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide
CID 78993194
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895
2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
CID 116694816
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide
CID 79291613
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenylsulfanylbutanamide?
The IUPAC name of 2,2-dimethyl-4-phenylsulfanylbutanamide (CID 142130509) is 2,2-dimethyl-4-phenylsulfanylbutanamide.
What is the SMILES notation for 2,2-dimethyl-4-phenylsulfanylbutanamide?
The canonical SMILES for 2,2-dimethyl-4-phenylsulfanylbutanamide is CC(C)(CCSc1ccccc1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-4-phenylsulfanylbutanamide?
The InChIKey is HKRHTWVNXXNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(2,11(13)14)8-9-15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,14).
What are the key properties of 2,2-dimethyl-4-phenylsulfanylbutanamide?
2,2-dimethyl-4-phenylsulfanylbutanamide has a molecular weight of 223.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenylsulfanylbutanamide is sourced from PubChem (CID 142130509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).